1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine

C16H19N3O2S — CID 735815

IUPAC1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C16H19N3O2S/c1-14-5-7-15(8-6-14)22(20,21)19-12-10-18(11-13-19)16-4-2-3-9-17-16/h2-9H,10-13H2,1H3
InChIKeyJEDMJGUYLWTGKO-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.90
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine

1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 735815) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID735815
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C16H19N3O2S/c1-14-5-7-15(8-6-14)22(20,21)19-12-10-18(11-13-19)16-4-2-3-9-17-16/h2-9H,10-13H2,1H3
InChIKeyJEDMJGUYLWTGKO-UHFFFAOYSA-N
XLogP1.90
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine (CID 735815) is 1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is JEDMJGUYLWTGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-14-5-7-15(8-6-14)22(20,21)19-12-10-18(11-13-19)16-4-2-3-9-17-16/h2-9H,10-13H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 317.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 735815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).